2-(4-fluorophenyl)-N-pentan-3-ylacetamide

C13H18FNO — CID 798297

IUPAC2-(4-fluorophenyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-3-12(4-2)15-13(16)9-10-5-7-11(14)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyCLNPWQCCQGZBIL-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.67
Rot. Bonds5

About 2-(4-fluorophenyl)-N-pentan-3-ylacetamide

2-(4-fluorophenyl)-N-pentan-3-ylacetamide (PubChem CID 798297) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-pentan-3-ylacetamide
PubChem CID798297
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-(4-fluorophenyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-3-12(4-2)15-13(16)9-10-5-7-11(14)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyCLNPWQCCQGZBIL-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-pentan-3-ylacetamide (CID 798297) is 2-(4-fluorophenyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-pentan-3-ylacetamide?
The InChIKey is CLNPWQCCQGZBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-12(4-2)15-13(16)9-10-5-7-11(14)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-fluorophenyl)-N-pentan-3-ylacetamide?
2-(4-fluorophenyl)-N-pentan-3-ylacetamide has a molecular weight of 223.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 798297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).